Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | SNCA | P37840 | 1/20 | 0.35 |
| ▸ | IGFBP5 | P24593 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29817116 | 0.82 | CYP3A4 (0.44) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL14954622 | 0.82 | CYP3A4 (0.44) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10040921 | 0.79 | MEN1 (0.46) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10041045 | 0.78 | CYP3A4 (0.41) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10041207 | 0.76 | SLC5A2 (0.50) | — | |
| SCHEMBL6249245 | 0.75 | CYP3A4 (0.57) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30058625 | 0.74 | CA1 (0.61) | CYP3A4HSD17B10CYP2D6MAPTMEN1 | |
| SCHEMBL545298 | 0.74 | CA1 (0.61) | CYP3A4HSD17B10CYP2D6MAPTMEN1 | |
| SCHEMBL13979827 | 0.72 | SLC5A2 (0.47) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5071987 | 0.72 | CYP17A1 (0.59) | CYP3A4HSD17B10CYP2D6MAPTMEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012019496-A1 | C-ARYL GLUCOSIDE DERIVATIVES, PREPARATION RPOCESS AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-02-16 | — | — | WO | disclosed |